BMRB Entry 36098
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36098
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Title: EFK17DA structure in Microgel MAA60 PubMed: 29087182
Deposition date: 2017-06-10 Original release date: 2017-11-30
Authors: Datta, A.; Bhunia, A.
Citation: Singh, Shalini; Datta, Aritreyee; Borro, Bruno C; Davoudi, Mina; Schmidtchen, Artur; Bhunia, Anirban; Malmsten, Martin. "Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels." ACS Appl. Mater. Interfaces 9, 40094-40106 (2017).
Assembly members:
Cathelicidin antimicrobial peptide, polymer, 17 residues, 2179.630 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Cathelicidin antimicrobial peptide: EFKRIVQRIKDFLRNLV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 132 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 17 residues - 2179.630 Da.
| 1 | GLU | PHE | LYS | ARG | ILE | VAL | GLN | ARG | ILE | LYS | ||||
| 2 | ASP | PHE | LEU | ARG | ASN | LEU | VAL |
Samples:
sample_1: EFK17DA 1 mM; Microgel MAA60 25 uM; TSP 0.8 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 0.0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H trNOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY v3.114, Goddard - chemical shift assignment
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMR spectrometers:
- Bruker Ascend TM 800 MHz